Chemical Compound

Arasertaconazole

CAS Registry Number583057-48-1
Arasertaconazole chemical structure
Primary record

Arasertaconazole

CAS
583057-48-1
PubChem CID
6604451
SMILES
C1=CC2=C(C(=C1)Cl)SC=C2CO[C@@H](CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
Molecular Formula
C20H15Cl3N2OS
Molecular Weight
437.779
Exact Mass
435.9971
InChI
InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m0/s1
InChIKey
JLGKQTAYUIMGRK-IBGZPJMESA-N
LogP
7.0161
TPSA
27.05

Names and synonyms

  • Arasertaconazole
  • (R)-Sertaconazole
  • Sertaconazole
  • arasertaconazol
  • arasertaconazolum
  • Arasertaconazole [INN]
  • Sertaconazole-d6
  • Sertaconazole, (r)-
  • (S)-Sertaconazole
  • Sertaconazole nitrate
  • 583057-48-1
  • UNII-PR82C5R514
  • AC1O7GID
  • RefChem:113713
  • PR82C5R514
  • CHEBI:83685
  • DTXSID00207032
  • orb1701182
  • SCHEMBL4356263
  • CHEMBL1410877
  • SCHEMBL30910942
  • DTXCID00129523
  • JLGKQTAYUIMGRK-IBGZPJMESA-N
  • ZINC2016037
  • AKOS040747837
  • CID6604451
  • NCGC00016966-01
  • BC218933
  • CAS-99592-39-9
  • DB-238176